N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: N-[[4,5-bis(chloranyl)-1,3-benzothiazol-2-yl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxy-benzamide CAS Name: N-[[(4,5-dichloro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-4-ethoxybenzamide Traditional Name: N-[(4,5-dichloro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C17H13Cl2N3O2S2 MolecularWeight: 426.34002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=CC(=C3Cl)Cl

InChI

InChI=1S/C17H13Cl2N3O2S2/c1-2-24-10-5-3-9(4-6-10)15(23)21-16(25)22-17-20-14-12(26-17)8-7-11(18)13(14)19/h3-8H,2H2,1H3,(H2,20,21,22,23,25)